CID 5713323

(2e)-3-(4-tert-butylphenyl)-n-[2-(1h-indol-3-yl)ethyl]prop-2-enamide

Structural Information

Molecular Formula
C23H26N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C23H26N2O/c1-23(2,3)19-11-8-17(9-12-19)10-13-22(26)24-15-14-18-16-25-21-7-5-4-6-20(18)21/h4-13,16,25H,14-15H2,1-3H3,(H,24,26)/b13-10+
InChIKey
XYIPOKICMMPCAH-JLHYYAGUSA-N
Compound name
(E)-3-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.2045 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.211776 188.3
[M+Na]+ 369.193718 194.6
[M-H]- 345.197224 193.1
[M+NH4]+ 364.238323 202.2
[M+K]+ 385.167658 187.3
[M+H-H2O]+ 329.201760 180.0
[M+HCOO]- 391.202701 207.8
[M+CH3COO]- 405.218351 213.1
[M+Na-2H]- 367.179166 191.2
[M]+ 346.20395142 188.9
[M]- 346.20504858 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.